Compound Detail
CHEMBL5618646
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O=C1CCC(N2Cc3cc(C4=C[C@@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)ccc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5618646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFIRTWGENGZXDW-JKSFWZLDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
4.46
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sal-like protein 4 CHEMBL6067463 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Eukaryotic peptide chain release factor GTP-binding subunit ERF3A CHEMBL4523593 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Zinc finger protein Aiolos CHEMBL4739707 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sal-like protein 4 | EC50 | = | 75.0 | nM | 7.12 | Induction of C-terminal HiBiT tag knocked in SALL4 degradation in human NCCIT ce... | 39291008 |
| Casein kinase I isoform alpha | EC50 | = | 250.0 | nM | 6.6 | Induction of ePL tagged CK1alpha degradation in human MDS-L cells incubated for ... | 39291008 |
| Eukaryotic peptide chain release factor GTP-binding subunit ERF3A | EC50 | = | 3300.0 | nM | 5.48 | Induction of ePL tagged GSPT1 degradation in human DF15 cells incubated for 60 m... | 39291008 |
| Zinc finger protein Aiolos | EC50 | = | 4800.0 | nM | 5.32 | Induction of N-terminal HiBiT tag knocked in IKZF3 degradation in human DF15 cel... | 39291008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291008 | 10.1021/acsmedchemlett.4c00297 | Zinc finger protein Aiolos | 1 |
| 39291008 | 10.1021/acsmedchemlett.4c00297 | Casein kinase I isoform alpha | 1 |
| 39291008 | 10.1021/acsmedchemlett.4c00297 | Eukaryotic peptide chain release factor GTP-binding subunit ERF3A | 1 |
| 39291008 | 10.1021/acsmedchemlett.4c00297 | Sal-like protein 4 | 1 |
Data from ChEMBL 36 via Core Engine